N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C23H25N3O2 — CID 121050637

IUPACN-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-3-4-16-25(20-8-6-5-7-9-20)23(28)17-26-22(27)15-14-21(24-26)19-12-10-18(2)11-13-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyUDGMZCJCLNZDGX-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.05
Rot. Bonds7

About N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 121050637) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID121050637
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-3-4-16-25(20-8-6-5-7-9-20)23(28)17-26-22(27)15-14-21(24-26)19-12-10-18(2)11-13-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyUDGMZCJCLNZDGX-UHFFFAOYSA-N
XLogP4.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051530
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-[3-[benzyl(butyl)amino]propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 20968334
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-ethyl-N-(2-methylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051397
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 121050637) is N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is CCCCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is UDGMZCJCLNZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-4-16-25(20-8-6-5-7-9-20)23(28)17-26-22(27)15-14-21(24-26)19-12-10-18(2)11-13-19/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 375.47 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121050637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).